SCHEMBL7538896

SCHEMBL7538896

O=[N+]([O-])c1ccc[c]c1N=Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
CASP7 P55210 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
PLAU P00749 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
HSD17B10 Q99714 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CA12 O43570 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4369183 0.79 ALDH1A1 (0.39) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL1263553 0.74 PLAU (0.53) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL1263552 0.74 PLAU (0.53) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL7086750 0.73 PTPN11 (0.50) TDP1L3MBTL1KMT2AMEN1PLAU
Charcoal, Activated SCHEMBL5133893 0.73 PLAU (0.51) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL15190528 0.72 GRIA2 (0.41) ALDH1A1TDP1MAPK1CASP7L3MBTL1
SCHEMBL11647997 0.72 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1KMT2AMEN1
SCHEMBL11647998 0.72 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1KMT2AMEN1
SCHEMBL3188808 0.72 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1L3MBTL1KMT2A
SCHEMBL7112253 0.71 MEN1 (0.40) ALDH1A1TDP1MAPK1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420552-B1 GENERATING CHROMOGENIC GLYCOSIDES; OBTAIN NEURAMIC ACID DERIVATIVE, ALKYLATE, DEPROTECT HYDROXYL GROUPS, ACTIVATE ANOMERIC CARBON, INCUBATE WITH CHROMOGEN, REGENERATE HYDROXYL GROUPS, RECOVER CHROMOGENIC GLYCOSIDE ZYMETX, INC. 2002-07-16 US claimed
EP-0888371-B1 4,7-DIALKOXY-N-ACETYLNEURAMINIC ACID DERIVATIVES AND METHODS FOR DETECTION OF INFLUENZA TYPE A AND B VIRUSES IN CLINICAL SPECIMENS OKLAHOMA MED RES FOUND (US) 2002-05-22 EP claimed
US-6303764-B1 EFFICIENT PREPARATION OF KETOSIDE WHICH IS SUBSTRATE FOR NEURAMINIDASES; FOR USE IN DETECTION OF INFLUENZA VIRUS TYPES A AND B ZYMETX, INC. 2001-10-16 US claimed
EP-0888371-A1 4,7-DIALKOXY-N-ACETYLNEURAMINIC ACID DERIVATIVES AND METHODS FOR DETECTION OF INFLUENZA TYPE A AND B VIRUSES IN CLINICAL SPECIMENS Oklahoma Medical Research Foundation (US) 1999-01-07 EP claimed
WO-1998013372-A1 4,7-DIALKOXY-N-ACETYLNEURAMINIC ACID DERIVATIVES AND METHODS FOR DETECTION OF INFLUENZA TYPE A AND B VIRUSES IN CLINICAL SPECIMENS OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1998-04-02 WO claimed
US-5719020-A CHROMOGENIC AND FLUOROGENIC DETECTION OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1998-02-17 US claimed
WO-1991009971-A1 CHROMOGENIC 5-POSITION MODIFIED NEURAMINIC ACID SUBSTRATES AND METHODS FOR DIAGNOSING HUMAN INFLUENZA THEREWITH SYMEX CORP. (US) 1991-07-11 WO claimed
US-6420552-B1 GENERATING CHROMOGENIC GLYCOSIDES; OBTAIN NEURAMIC ACID DERIVATIVE, ALKYLATE, DEPROTECT HYDROXYL GROUPS, ACTIVATE ANOMERIC CARBON, INCUBATE WITH CHROMOGEN, REGENERATE HYDROXYL GROUPS, RECOVER CHROMOGENIC GLYCOSIDE ZYMETX, INC. 2002-07-16 US disclosed
EP-0888371-B1 4,7-DIALKOXY-N-ACETYLNEURAMINIC ACID DERIVATIVES AND METHODS FOR DETECTION OF INFLUENZA TYPE A AND B VIRUSES IN CLINICAL SPECIMENS OKLAHOMA MED RES FOUND (US) 2002-05-22 EP disclosed
US-6303764-B1 EFFICIENT PREPARATION OF KETOSIDE WHICH IS SUBSTRATE FOR NEURAMINIDASES; FOR USE IN DETECTION OF INFLUENZA VIRUS TYPES A AND B ZYMETX, INC. 2001-10-16 US disclosed
EP-0888371-A1 4,7-DIALKOXY-N-ACETYLNEURAMINIC ACID DERIVATIVES AND METHODS FOR DETECTION OF INFLUENZA TYPE A AND B VIRUSES IN CLINICAL SPECIMENS Oklahoma Medical Research Foundation (US) 1999-01-07 EP disclosed
WO-1998013372-A1 4,7-DIALKOXY-N-ACETYLNEURAMINIC ACID DERIVATIVES AND METHODS FOR DETECTION OF INFLUENZA TYPE A AND B VIRUSES IN CLINICAL SPECIMENS OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1998-04-02 WO disclosed
US-5719020-A CHROMOGENIC AND FLUOROGENIC DETECTION OKLAHOMA MEDICAL RESEARCH FOUNDATION (US) 1998-02-17 US disclosed
EP-0561160-A1 Colorimetric methods and reagents for the assay of calcium in a test sample Bayer Corporation (US) 1993-09-22 EP disclosed
EP-0507854-A4 METHODS FOR DIAGNOSTING HUMAN INFLUENZA AND 4-POSITION MODIFIED CHROMOGENIC N-ACETYLNEURAMINIC ACID SUBSTRATES FOR USE THEREIN 1992-10-21 EP disclosed
EP-0507854-A1 METHODS FOR DIAGNOSTING HUMAN INFLUENZA AND 4-POSITION MODIFIED CHROMOGENIC N-ACETYLNEURAMINIC ACID SUBSTRATES FOR USE THEREIN. SYMEX CORP (US) 1992-10-14 EP disclosed
WO-1991010744-A1 CHROMOGENIC 9-POSITION MODIFIED N-ACETYLNEURAMINIC ACID SUBSTRATES AND METHODS FOR DIAGNOSING HUMAN INFLUENZA THEREWITH SYMEX CORP. (US) 1991-07-25 WO disclosed
WO-1991009972-A1 METHODS FOR DIAGNOSTING HUMAN INFLUENZA AND 4-POSITION MODIFIED CHROMOGENIC N-ACETYLNEURAMINIC ACID SUBSTRATES FOR USE THEREIN SYMEX CORP. (US) 1991-07-11 WO disclosed
WO-1991009971-A1 CHROMOGENIC 5-POSITION MODIFIED NEURAMINIC ACID SUBSTRATES AND METHODS FOR DIAGNOSING HUMAN INFLUENZA THEREWITH SYMEX CORP. (US) 1991-07-11 WO disclosed
US-4085099-A AZO DYES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-04-18 US disclosed